3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

C12H18N4O3 — CID 106409193

IUPAC3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(Cc2noc(C)n2)C1=O
InChIInChI=1S/C12H18N4O3/c1-4-8-12(18)16(9(5-2)11(17)14-8)6-10-13-7(3)19-15-10/h8-9H,4-6H2,1-3H3,(H,14,17)
InChIKeyJSPYKXHHHYEVDC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.39
Rot. Bonds4

About 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 106409193) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID106409193
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(Cc2noc(C)n2)C1=O
InChIInChI=1S/C12H18N4O3/c1-4-8-12(18)16(9(5-2)11(17)14-8)6-10-13-7(3)19-15-10/h8-9H,4-6H2,1-3H3,(H,14,17)
InChIKeyJSPYKXHHHYEVDC-UHFFFAOYSA-N
XLogP0.39
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (CID 106409193) is 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(Cc2noc(C)n2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is JSPYKXHHHYEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-8-12(18)16(9(5-2)11(17)14-8)6-10-13-7(3)19-15-10/h8-9H,4-6H2,1-3H3,(H,14,17).
What are the key properties of 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 106409193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).